SCHEMBL3363874

SCHEMBL3363874

CN(C)CCOC(=O)C(=Cc1ccccc1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.52
KMT2A Q03164 4/20 0.50
MEN1 O00255 3/20 0.50
AKR1C1 Q04828 1/20 0.50
MAPT P10636 5/20 0.48
BCHE P06276 3/20 0.46
ACHE P22303 2/20 0.46
LMNA P02545 4/20 0.46
HTT P42858 3/20 0.46
NPSR1 Q6W5P4 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
GAA P10253 1/20 0.45
MAPK1 P28482 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
POLB P06746 1/20 0.44
HPGD P15428 1/20 0.44
CHRM1 P11229 1/20 0.44
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Cinnamaverine SCHEMBL2112223 0.86 LMNA (0.51) CYP2D6KMT2AMEN1AKR1C1MAPT
SCHEMBL4194919 0.84 LMNA (0.56) CYP2D6KMT2AMEN1AKR1C1MAPT
SCHEMBL13101768 0.82 AKR1C1 (0.56) CYP2D6KMT2AMEN1AKR1C1MAPT
SCHEMBL4877943 0.81 CYP2D6 (0.53) CYP2D6KMT2AMEN1MAPTBCHE
SCHEMBL7931342 0.81 KDM4E (0.54) CYP2D6KMT2AMEN1AKR1C1MAPT
SCHEMBL10455278 0.81 AKR1C1 (0.54) CYP2D6KMT2AMEN1AKR1C1MAPT
SCHEMBL24704034 0.80 MEN1 (0.70) CYP2D6KMT2AMEN1AKR1C1MAPT
SCHEMBL648889 0.80 MEN1 (0.70) CYP2D6KMT2AMEN1AKR1C1MAPT
SCHEMBL7527305 0.80 MEN1 (0.70) CYP2D6KMT2AMEN1AKR1C1MAPT
SCHEMBL27973355 0.80 KMT2A (0.53) CYP2D6KMT2AMEN1AKR1C1MAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100009970-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES COMBINATORX (SINGAPORE) PTE. LTD. (SG) 2010-01-14 US disclosed
US-20080161324-A1 Compositions and methods for treatment of viral diseases EXCRX (SINGAPORE) PTE. LTD. (F.K.A. COMBINATORX (SINGAPORE) PTE LTD.) (SG) 2008-07-03 US disclosed
WO-2008033466-A2 COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES COMBINATORX (SINGAPORE) PRE. LTD. (SG) 2008-03-20 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100009970-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES HTR1A, HTR3B, HTR3A CYP2D6 650/4885KMT2A 1108/4885MEN1 3638/4885
US-20080161324-A1 Compositions and methods for treatment of viral diseases HAVCR2, EIF2AK2, RNASE1 CYP2D6 1538/4885KMT2A 2353/4885MEN1 4701/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.